Structure of PDB 7go1 Chain A Binding Site BS01

Receptor Information
>7go1 Chain A (length=182) Species: 42789 (enterovirus D68) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYI
NDVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYND
AVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGG
VVTTTGKVIGIHVGGNGAQGFAAMLLHSYFTD
Ligand information
Ligand IDUR7
InChIInChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyBRGBJOARAPZJCN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1F)CS(=O)(=O)N
CACTVS 3.385Cc1ccc(C[S](N)(=O)=O)cc1F
ACDLabs 12.01c1(cc(F)c(C)cc1)CS(N)(=O)=O
FormulaC8 H10 F N O2 S
Name1-(3-fluoro-4-methylphenyl)methanesulfonamide
ChEMBL
DrugBank
ZINCZINC000082503857
PDB chain7go1 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7go1 PanDDA analysis group deposition
Resolution1.68 Å
Binding residue
(original residue number in PDB)		V34 D58 I74 F179 T180 D181
Binding residue
(residue number reindexed from 1)		V35 D59 I75 F180 T181 D182
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:7go1, PDBe:7go1, PDBj:7go1
PDBsum7go1
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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